fluticasone (CHEBI:5134)

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CHEBI:5134 - fluticasone

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ChEBI ID	CHEBI:5134
ChEBI Name	fluticasone
Stars
Definition	A trifluorinated corticosteroid used in the form of its propionate ester for treatment of allergic rhinitis.
Last Modified	6 September 2013
Downloads	Molfile

Formula	C22H27F3O4S
Net Charge	0
Average Mass	444.515
Monoisotopic Mass	444.15822
SMILES	[H][C@@]12C[C@@H](C)[C@](O)(C(=O)SCF)[C@@]1(C)C[C@H](O)[C@@]1(F)[C@@]2([H])C[C@H](F)C2=CC(=O)C=C[C@@]21C
InChI	InChI=1S/C22H27F3O4S/c1-11-6-13-14-8-16(24)15-7-12(26)4-5-19(15,2)21(14,25)17(27)9-20(13,3)22(11,29)18(28)30-10-23/h4-5,7,11,13-14,16-17,27,29H,6,8-10H2,1-3H3/t11-,13+,14+,16+,17+,19+,20+,21+,22+/m1/s1
InChIKey	MGNNYOODZCAHBA-GQKYHHCASA-N

Wikipedia

Roles Classification

anti-allergic agent A drug used to treat allergic reactions.

anti-asthmatic drug A drug used to treat asthma.

ChEBI Ontology

Outgoing Relation(s)
	fluticasone (CHEBI:5134) has parent hydride androstane (CHEBI:35509)
	fluticasone (CHEBI:5134) has role anti-allergic agent (CHEBI:50857)
	fluticasone (CHEBI:5134) has role anti-asthmatic drug (CHEBI:49167)
	fluticasone (CHEBI:5134) is a 11β-hydroxy steroid (CHEBI:35346)
	fluticasone (CHEBI:5134) is a 17α-hydroxy steroid (CHEBI:35342)
	fluticasone (CHEBI:5134) is a 3-oxo-Δ⁴ steroid (CHEBI:47909)
	fluticasone (CHEBI:5134) is a corticosteroid (CHEBI:50858)
	fluticasone (CHEBI:5134) is a fluorinated steroid (CHEBI:50830)
	fluticasone (CHEBI:5134) is a thioester (CHEBI:51277)
Incoming Relation(s)
	fluticasone furoate (CHEBI:74899) has functional parent fluticasone (CHEBI:5134)
	fluticasone propionate (CHEBI:31441) has functional parent fluticasone (CHEBI:5134)

IUPAC Name
S-(fluoromethyl) (6α,11β,16α,17α)-6,9-difluoro-11,17-dihydroxy-16-methyl-3-oxoandrosta-1,4-diene-17-carbothioate

INNs	Source
fluticasone	KEGG DRUG
fluticasonum	ChemIDplus
fluticasona	ChemIDplus
fluticasone	WHO MedNet

Manual Xrefs	Databases
C07815	KEGG COMPOUND
D07981	KEGG DRUG
Fluticasone	Wikipedia

Registry Numbers	Sources
Reaxys:8173308	Reaxys
CAS:90566-53-3	KEGG COMPOUND
CAS:90566-53-3	ChemIDplus

Citations